[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate

C23H29N3O5S — CID 55995504

IUPAC[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C23H29N3O5S/c1-17-12-13-18(15-24-17)14-23(28)31-16-22(27)25-20-10-6-7-11-21(20)32(29,30)26(2)19-8-4-3-5-9-19/h6-7,10-13,15,19H,3-5,8-9,14,16H2,1-2H3,(H,25,27)
InChIKeyLWHUZXUADABNQF-UHFFFAOYSA-N
MW459.57 g/mol
LogP3.07
Rot. Bonds8

About [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate (PubChem CID 55995504) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Name[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
PubChem CID55995504
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cn1
InChIInChI=1S/C23H29N3O5S/c1-17-12-13-18(15-24-17)14-23(28)31-16-22(27)25-20-10-6-7-11-21(20)32(29,30)26(2)19-8-4-3-5-9-19/h6-7,10-13,15,19H,3-5,8-9,14,16H2,1-2H3,(H,25,27)
InChIKeyLWHUZXUADABNQF-UHFFFAOYSA-N
XLogP3.07
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425533
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 55405367
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519558
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 16531511
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-phenylphenoxy)acetamide
CID 4838958
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 30108251
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347081
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
CID 55536343
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 112829072
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(3-nitrophenoxy)acetamide
CID 30381217
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 16539548
N-cyclohexyl-N-cyclopropyl-2-(6-methyl-3-pyridinyl)acetamide
CID 71938431

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
The IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate (CID 55995504) is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate.
What is the SMILES notation for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
The canonical SMILES for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate is Cc1ccc(CC(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)cn1.
What is the InChIKey of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
The InChIKey is LWHUZXUADABNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-17-12-13-18(15-24-17)14-23(28)31-16-22(27)25-20-10-6-7-11-21(20)32(29,30)26(2)19-8-4-3-5-9-19/h6-7,10-13,15,19H,3-5,8-9,14,16H2,1-2H3,(H,25,27).
What are the key properties of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate?
[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate has a molecular weight of 459.57 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2-(6-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 55995504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).